⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27181871 | 1.00 | — | — | |
| SCHEMBL21728035 | 0.80 | — | — | |
| SCHEMBL6310193 | 0.78 | — | — | |
| SCHEMBL1078082 | 0.72 | — | — | |
| SCHEMBL1078083 | 0.72 | — | — | |
| SCHEMBL727585 | 0.72 | — | — | |
| SCHEMBL726605 | 0.72 | — | — | |
| SCHEMBL13423857 | 0.72 | — | — | |
| SCHEMBL6446962 | 0.70 | — | — | |
| SCHEMBL8225551 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115611701-A | Method for synthesizing difluorobromopropylene | 中国矿业大学(北京) | 2023-01-17 | — | — | CN | claimed |
| CN-114315726-B | Preparation method of gem-difluoroallyl compound | 中国科学院上海有机化学研究所 | 2024-02-09 | — | — | CN | disclosed |
| CN-115611701-A | Method for synthesizing difluorobromopropylene | 中国矿业大学(北京) | 2023-01-17 | — | — | CN | disclosed |
| CN-115611701-A | Method for synthesizing difluorobromopropylene | 中国矿业大学(北京) | 2023-01-17 | — | — | CN | disclosed |
| CN-115611701-A | Method for synthesizing difluorobromopropylene | 中国矿业大学(北京) | 2023-01-17 | — | — | CN | disclosed |
| CN-115260069-A | 3,3-difluoroallylonium salt compound and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2022-11-01 | — | — | CN | disclosed |
| CN-114315726-A | Preparation method of gem-difluoroallyl compound | 中国科学院上海有机化学研究所 | 2022-04-12 | — | — | CN | disclosed |
| US-20050087434-A1 | Method and apparatus for transforming chemical fluids using halogen or oxygen in a photo-treatment process | IDEAL FLUIDS, INC. | 2005-04-28 | — | — | US | disclosed |